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methyl (2E)-5-(4-methoxyphenyl)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID BTzmuOI5uCh
InChI InChI=1S/C31H25Cl3N2O6S/c1-16-26(30(38)41-4)27(18-6-8-21(39-2)9-7-18)36-29(37)25(43-31(36)35-16)12-17-5-10-24(40-3)19(11-17)15-42-28-22(33)13-20(32)14-23(28)34/h5-14,27H,15H2,1-4H3/b25-12+
InChIKey ZNHXOCPMJWIWRR-BRJLIKDPSA-N
Mol Weight 659.97 g/mol
Molecular Formula C31H25Cl3N2O6S
Exact Mass 658.049891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 916OIAnebwZ
Name methyl (2E)-5-(4-methoxyphenyl)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H25Cl3N2O6S/c1-16-26(30(38)41-4)27(18-6-8-21(39-2)9-7-18)36-29(37)25(43-31(36)35-16)12-17-5-10-24(40-3)19(11-17)15-42-28-22(33)13-20(32)14-23(28)34/h5-14,27H,15H2,1-4H3/b25-12+
InChIKey ZNHXOCPMJWIWRR-BRJLIKDPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10427
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1003549; UBI_ID: UBI-010430
Synonyms methyl 5-(4-methoxyphenyl)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 318 °C